2-(3-methoxyphenyl)-3-methylbutanoic acid

C12H16O3 — CID 10932686

IUPAC2-(3-methoxyphenyl)-3-methylbutanoic acid
SMILESCOc1cccc(C(C(=O)O)C(C)C)c1
InChIInChI=1S/C12H16O3/c1-8(2)11(12(13)14)9-5-4-6-10(7-9)15-3/h4-8,11H,1-3H3,(H,13,14)
InChIKeyMJGOQSIKBQCAJZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.52
Rot. Bonds4

About 2-(3-methoxyphenyl)-3-methylbutanoic acid

2-(3-methoxyphenyl)-3-methylbutanoic acid (PubChem CID 10932686) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-3-methylbutanoic acid
PubChem CID10932686
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-(3-methoxyphenyl)-3-methylbutanoic acid
SMILESCOc1cccc(C(C(=O)O)C(C)C)c1
InChIInChI=1S/C12H16O3/c1-8(2)11(12(13)14)9-5-4-6-10(7-9)15-3/h4-8,11H,1-3H3,(H,13,14)
InChIKeyMJGOQSIKBQCAJZ-UHFFFAOYSA-N
XLogP2.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Homovanillic Acid
CID 1738
Fenoprofen
CID 3342
4-Methoxybenzoic Acid
CID 7478
Fenoprofen Calcium
CID 64747
(3,4-Dimethoxyphenyl)acetic acid
CID 7139
4-Methoxyphenylacetic Acid
CID 7690
(3-Methoxyphenyl)acetic acid
CID 15719
4-(Octyloxy)benzoic acid
CID 17231
3-Hydroxy-4-methoxybenzeneacetic acid
CID 160562
3-(p-Methoxyphenyl)propionic acid
CID 95750
2,5-Dimethoxyphenylacetic acid
CID 74469
Homovanillic acid sulfate
CID 29981063

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-3-methylbutanoic acid?
The IUPAC name of 2-(3-methoxyphenyl)-3-methylbutanoic acid (CID 10932686) is 2-(3-methoxyphenyl)-3-methylbutanoic acid.
What is the SMILES notation for 2-(3-methoxyphenyl)-3-methylbutanoic acid?
The canonical SMILES for 2-(3-methoxyphenyl)-3-methylbutanoic acid is COc1cccc(C(C(=O)O)C(C)C)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-3-methylbutanoic acid?
The InChIKey is MJGOQSIKBQCAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-8(2)11(12(13)14)9-5-4-6-10(7-9)15-3/h4-8,11H,1-3H3,(H,13,14).
What are the key properties of 2-(3-methoxyphenyl)-3-methylbutanoic acid?
2-(3-methoxyphenyl)-3-methylbutanoic acid has a molecular weight of 208.26 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-3-methylbutanoic acid is sourced from PubChem (CID 10932686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).